3-amino-2-(2-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol

C14H16FNOS — CID 65185417

IUPAC3-amino-2-(2-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
SMILESCc1ccsc1C(O)C(CN)c1ccccc1F
InChIInChI=1S/C14H16FNOS/c1-9-6-7-18-14(9)13(17)11(8-16)10-4-2-3-5-12(10)15/h2-7,11,13,17H,8,16H2,1H3
InChIKeyQIGAOUSGZYLABT-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.97
Rot. Bonds4

About 3-amino-2-(2-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol

3-amino-2-(2-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol (PubChem CID 65185417) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-amino-2-(2-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
PubChem CID65185417
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name3-amino-2-(2-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
SMILESCc1ccsc1C(O)C(CN)c1ccccc1F
InChIInChI=1S/C14H16FNOS/c1-9-6-7-18-14(9)13(17)11(8-16)10-4-2-3-5-12(10)15/h2-7,11,13,17H,8,16H2,1H3
InChIKeyQIGAOUSGZYLABT-UHFFFAOYSA-N
XLogP2.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol (CID 65185417) is 3-amino-2-(2-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol is Cc1ccsc1C(O)C(CN)c1ccccc1F.
What is the InChIKey of 3-amino-2-(2-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol?
The InChIKey is QIGAOUSGZYLABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-9-6-7-18-14(9)13(17)11(8-16)10-4-2-3-5-12(10)15/h2-7,11,13,17H,8,16H2,1H3.
What are the key properties of 3-amino-2-(2-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol?
3-amino-2-(2-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol has a molecular weight of 265.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 65185417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).